2-dodec-11-enylnaphthalene

C22H30 — CID 101307470

IUPAC2-dodec-11-enylnaphthalene
SMILESC=CCCCCCCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C22H30/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-21-15-12-13-16-22(21)19-20/h2,12-13,15-19H,1,3-11,14H2
InChIKeyIISIJTSHYJEZBD-UHFFFAOYSA-N
MW294.48 g/mol
LogP7.08
Rot. Bonds11

About 2-dodec-11-enylnaphthalene

2-dodec-11-enylnaphthalene (PubChem CID 101307470) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-dodec-11-enylnaphthalene.

Molecular Properties

Compound Name2-dodec-11-enylnaphthalene
PubChem CID101307470
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name2-dodec-11-enylnaphthalene
SMILESC=CCCCCCCCCCCc1ccc2ccccc2c1
InChIInChI=1S/C22H30/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-21-15-12-13-16-22(21)19-20/h2,12-13,15-19H,1,3-11,14H2
InChIKeyIISIJTSHYJEZBD-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
2-hex-5-enyl-7-pent-4-enylphenanthrene
CID 139836992
2-[(E)-henicos-13-enyl]naphthalene
CID 101307743
2-[(E)-pentadec-12-enyl]naphthalene
CID 101307544
2-[(E)-docos-6-enyl]naphthalene
CID 101307769
2-[(E)-docos-17-enyl]naphthalene
CID 101307791
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
2-pentylnaphthalene;prop-1-ene
CID 173098363
hept-6-enylbenzene
CID 15608161
ethane;2-hexylnaphthalene
CID 142191207
1-hex-5-enyl-4-phenylbenzene
CID 59235470
2-but-3-enyl-7-pent-4-enylphenanthrene
CID 139836962

Frequently Asked Questions

What is the IUPAC name of 2-dodec-11-enylnaphthalene?
The IUPAC name of 2-dodec-11-enylnaphthalene (CID 101307470) is 2-dodec-11-enylnaphthalene.
What is the SMILES notation for 2-dodec-11-enylnaphthalene?
The canonical SMILES for 2-dodec-11-enylnaphthalene is C=CCCCCCCCCCCc1ccc2ccccc2c1.
What is the InChIKey of 2-dodec-11-enylnaphthalene?
The InChIKey is IISIJTSHYJEZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-21-15-12-13-16-22(21)19-20/h2,12-13,15-19H,1,3-11,14H2.
What are the key properties of 2-dodec-11-enylnaphthalene?
2-dodec-11-enylnaphthalene has a molecular weight of 294.48 g/mol, XLogP of 7.08, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodec-11-enylnaphthalene is sourced from PubChem (CID 101307470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).